N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide

C19H17FN4O2 — CID 90446549

IUPACN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H17FN4O2/c20-13-2-4-17-16(8-13)19(22-10-21-17)24-15-5-11-1-3-14(6-12(11)7-15)23-18(26)9-25/h1-4,6,8,10,15,25H,5,7,9H2,(H,23,26)(H,21,22,24)
InChIKeyYVVLVZMDTTXLGJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.28
Rot. Bonds4

About N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide

N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide (PubChem CID 90446549) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
PubChem CID90446549
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H17FN4O2/c20-13-2-4-17-16(8-13)19(22-10-21-17)24-15-5-11-1-3-14(6-12(11)7-15)23-18(26)9-25/h1-4,6,8,10,15,25H,5,7,9H2,(H,23,26)(H,21,22,24)
InChIKeyYVVLVZMDTTXLGJ-UHFFFAOYSA-N
XLogP2.28
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide (CID 90446549) is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide is O=C(CO)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2.
What is the InChIKey of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide?
The InChIKey is YVVLVZMDTTXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-13-2-4-17-16(8-13)19(22-10-21-17)24-15-5-11-1-3-14(6-12(11)7-15)23-18(26)9-25/h1-4,6,8,10,15,25H,5,7,9H2,(H,23,26)(H,21,22,24).
What are the key properties of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide?
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide has a molecular weight of 352.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide is sourced from PubChem (CID 90446549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).